File name: Pandora177s1_WestportCT_20231012_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T151147.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231012_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20231012 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231012T123438.9Z 8685.524061 141 1 48.98 2 74.12 115.25 51.33 124.86 0.00 1 0.00 1 0 17 8.082e-02 9.845e-03 8.129e-02 3.771e-03 4.293714e-01 2.002380e-03 5.477432e-03 -6.000000e+00 4.796032e-02 226.27 -2.00 3.51 -2.00 320.17 0.00e+00 3.183923e-03 6.929321e-04 2.840671e-03 -6.000000e+00 2.136615e-03 284.54 -2.00 20.00 -2.00 319.50 0.00e+00 3.590 0.001 302.00 328.00 3 3.4020e+00 5.9705e-03 4.3602e-02 -6.0000e+00 1.1863e-01 -3.3360e-03 7.3042e-03 2.6799e-02 -6.0000e+00 1.2832e-01 1.0772e-02 6.2090e-03 1.4122e-02 -6.0000e+00 7.6609e-02 -1.7301e-02 3.1769e-03 4.2961e-03 -6.0000e+00 3.2956e-02 3.0076e-04 1.3395e-04 1.1996e-04 7.0824e-05 -6.0000e+00 2.3768e-03 3.2150e-03 0.0000e+00 12 9 8 11 8 0 95.75 22.83 0.35 0.00322 0.00422 47 11 1 5 0 1041.930 26.21 20.05 22.83 14.66 21.8 946.35 -24329 -20929 -45416 -20787 -8848 -15385 -31284 -20764 -15520 -16651 -8006 -18000 -14040 -35112 -11146 -4391 4424 5468 -2300 -9919 -12384 -1878 -4916 -1882 -3275 -3689 -5203 -10015 2324 -7218 -4053 -847 -3080 -13548 -1516 -4839 -6184 -5658 -1051 1745 -2546 2573 -2084 3549 76 4122 4428 15 481 641 1606 845 1644 -153 -179 33 -658 -1137 -646 893 1825 4029 2443 3462 -100 -741 353 -73 3117 1524 1350 1253 1995 -91 -108 -1517 -2599 -3171 -2738 -1211 -1818 -1821 -3462 -1081 624 616 1507 1387 1465 1477 356 -1267 -1063 -347 -1248 -639 565 1178 -63 101 -1828 -2374 -676 -398 -1731 -1940 -1212 -709 1084 1061 1450 540 359 -896 58 -597 -282 391 628 739 512 919 953 439 374 -792 -968 493 -103 -508 -756 -1066 -237 -6 17 -44 597 984 513 79 -256 -1015 -317 -294 -835 -285 -101 -185 -481 -326 -254 -289 -134 -373 -338 -1279 -380 -159 160 210 -101 -494 -646 -89 -250 -109 -206 -240 -341 -670 137 -494 -304 -70 -286 -1425 -138 -463 -673 -736 -157 290 -485 494 -435 714 16 847 913 3 107 149 403 233 485 -49 -59 11 -229 -393 -219 301 645 1532 1041 1558 -47 -333 151 -33 1491 830 793 756 1174 -52 -56 -729 -1186 -1480 -1409 -707 -1212 -1341 -2781 -900 546 575 1461 1369 1423 1370 311 -1039 -834 -279 -1116 -642 631 1440 -82 128 -2171 -2606 -709 -434 -2047 -2434 -1588 -981 1595 1694 2438 928 599 -1424 86 -861 -412 599 1018 1241 861 1498 1500 669 548 -1121 -1351 711 -163 -885 -1396 -2049 -471 -13 35 -94 1280 2125 1105 166 -564 -2167 SS 20231012T124118.2Z 8685.528683 145 1 48.90 2 72.99 116.50 50.35 126.54 0.00 1 0.00 1 0 17 3.734e-01 3.886e-02 3.322e-01 3.925e-02 4.589693e-01 2.217825e-02 8.740776e-03 -6.000000e+00 2.308008e-01 226.27 -2.00 3.51 -2.00 320.20 0.00e+00 2.405309e-03 7.470166e-03 9.029344e-03 -6.000000e+00 1.377140e-02 284.54 -2.00 20.00 -2.00 319.54 0.00e+00 3.367 0.001 302.00 328.00 3 6.2260e+00 6.5507e-02 5.8850e-02 -6.0000e+00 5.7409e-01 1.5137e-01 8.0463e-02 6.4009e-02 -6.0000e+00 6.2748e-01 -1.3474e-01 6.7327e-02 2.3346e-02 -6.0000e+00 3.6495e-01 5.3270e-02 3.4456e-02 3.9026e-03 -6.0000e+00 1.6356e-01 1.9757e-05 -1.1277e-03 1.2958e-03 9.7477e-05 -6.0000e+00 1.1712e-02 6.5818e-03 0.0000e+00 12 8 8 10 0 0 99.92 22.85 3.52 0.00658 -0.00189 14 3 1 5 0 3492.510 26.21 19.99 22.85 15.12 21.9 949.31 900000 900000 900000 900000 900000 900000 900000 -114384 900000 900000 900000 51113 900000 198207 64402 -3645 900000 900000 -31135 -14286 31078 -19813 74838 40661 95959 -58826 900000 -30894 262030 -30420 14506 -17577 8548 82064 -10595 900000 -19742 -1982 12151 -4828 10994 -18852 -4341 13871 25775 -1636 34248 -18071 4667 7237 -2284 -17063 6291 15228 -6448 21925 -11298 12232 11046 -17663 15018 9515 2214 11266 6391 15554 416 -5241 14151 6301 15581 -5760 10066 6630 -5649 -5678 -4540 10747 -1246 -1711 -6935 -8938 -4167 -578 -4335 3248 5003 -5214 2947 3437 -5521 3914 -5496 917 -7481 6827 963 -5073 1957 1399 -8156 -5262 -4432 -541 -3503 5074 -2363 1319 2513 4880 3835 3175 3037 -1780 -885 1277 602 -395 1327 199 1694 2711 85 2012 -4125 -1114 -2101 -2436 -4735 -755 1169 -722 -651 -1620 1454 859 -1695 581 1219 796 2309 -2446 900000 900000 900000 900000 900000 900000 900000 -6161 900000 900000 900000 1950 900000 7562 2457 -164 900000 900000 -2236 -898 1255 -1334 2855 1643 3661 -6997 900000 -2635 9997 -2662 912 -1736 710 3522 -1046 900000 -2542 -255 1623 -875 1861 -4540 -932 2514 4179 -351 5145 -4611 968 1536 -577 -5452 1710 3994 -2183 5751 -4176 3529 3161 -6739 4333 3176 876 4352 2606 5526 166 -2274 5601 3020 7319 -3434 5016 3225 -2842 -2586 -1916 3946 -570 -905 -4399 -6394 -3050 -433 -3587 2826 4479 -5252 2691 2981 -4873 2907 -4291 692 -6774 6060 1021 -6297 2374 1668 -9875 -5662 -4565 -556 -3956 5563 -2932 1674 3413 7037 5930 5023 4673 -2707 -1252 1708 822 -572 2001 313 2624 4034 125 2799 -5844 -1462 -2731 -3327 -7262 -1215 1956 -1279 -1200 -3185 2929 1810 -3747 1264 2610 1653 4475 -4753 SS 20231012T125034.9Z 8685.535126 151 1 17.85 2 71.44 118.29 49.02 128.96 0.00 1 0.00 1 0 25 4.718e-02 1.137e-02 1.309e-02 1.487e-03 3.752423e-01 7.759727e-04 4.654333e-03 -6.000000e+00 2.799875e-02 226.27 -2.00 3.51 -2.00 319.01 0.00e+00 2.325185e-03 1.865035e-04 1.663362e-03 -6.000000e+00 1.247227e-03 284.53 -2.00 20.00 -2.00 318.28 0.00e+00 3.102 0.000 302.00 328.00 3 2.0406e+00 2.1430e-03 3.6840e-02 -6.0000e+00 6.9254e-02 9.4486e-03 2.4766e-03 2.0585e-02 -6.0000e+00 7.4911e-02 -9.3775e-03 1.7799e-03 1.0505e-02 -6.0000e+00 4.4722e-02 -3.4619e-03 9.3611e-04 3.1766e-03 -6.0000e+00 1.9240e-02 2.0002e-03 -6.8049e-06 4.5893e-05 3.8890e-05 -6.0000e+00 1.3874e-03 2.7189e-03 0.0000e+00 12 9 9 12 1 1 81.51 22.83 0.34 0.00272 0.00267 61 39 1 5 0 287.780 26.21 19.99 22.83 15.61 21.9 952.29 -5834 -9091 -3552 -14639 -20647 -10467 -21747 -12081 -15323 -10001 -22192 -10252 -10180 -5817 -4421 -2391 1743 -1678 3948 568 774 -1850 -1573 1326 -582 -509 -4236 -4558 -4724 -2134 -769 917 198 -5253 -6338 -6533 -2434 -2109 -119 -961 -871 370 242 599 1338 1638 -84 234 -835 703 1301 1212 1549 949 1602 1424 1024 -446 -724 366 1594 3470 3681 2935 202 -753 -735 -235 1708 1706 1305 1451 1078 993 -353 -2297 -3519 -3804 -2613 -2339 -2325 -2195 -2460 -1434 36 708 1346 1656 1555 1267 -89 -1394 -2171 -1628 -831 -313 559 1334 329 -485 -1823 -2186 -813 -131 -1775 -1646 -1047 -583 911 1482 1483 863 480 -190 -416 -640 11 450 1078 517 731 1032 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